(5Z)-3-benzyl-1-hydroxy-5-[hydroxy(phenyl)methylidene]piperazine-2,6-dione
AlkaPlorer ID: AK322345
Synonym: None
IUPAC Name: (5E)-3-benzyl-1-hydroxy-5-[hydroxy(phenyl)methylidene]piperazine-2,6-dione
Structure
SMILES: O=C1/C(=C(\O)C2=CC=CC=C2)NC(CC2=CC=CC=C2)C(=O)N1O
InChI: InChI=1S/C18H16N2O4/c21-16(13-9-5-2-6-10-13)15-18(23)20(24)17(22)14(19-15)11-12-7-3-1-4-8-12/h1-10,14,19,21,24H,11H2/b16-15+
InChIKey: PUTCMPIKZFJCJL-FOCLMDBBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Menisporopsis | Chaetosphaeriaceae | Chaetosphaeriales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 324.33600000000007
TPSA？: 89.87
MolLogP？: 1.8721
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | IC50 | 62100.0 | nM | 10.1021/np0601197 |
| Homo sapiens | NCI-H187 | IC50 | 1800.0 | nM | 10.1021/np0601197 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 310500.0 | nM | 10.1021/np0601197 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 28800.0 | nM | 10.1021/np0601197 |
| None | NON-PROTEIN TARGET | IC50 | 57400.0 | nM | 10.1021/np0601197 |